N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide

C20H21F3N2O3S — CID 86956997

IUPACN,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C20H21F3N2O3S/c1-24(2)29(27,28)17-9-6-15-11-12-25(18(15)13-17)19(26)10-5-14-3-7-16(8-4-14)20(21,22)23/h3-4,6-9,13H,5,10-12H2,1-2H3
InChIKeyPYASICMKADOODU-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.48
Rot. Bonds5

About N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide

N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 86956997) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID86956997
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC NameN,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C20H21F3N2O3S/c1-24(2)29(27,28)17-9-6-15-11-12-25(18(15)13-17)19(26)10-5-14-3-7-16(8-4-14)20(21,22)23/h3-4,6-9,13H,5,10-12H2,1-2H3
InChIKeyPYASICMKADOODU-UHFFFAOYSA-N
XLogP3.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 16558784
N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 37349562
N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 56805828
1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
1-(2-amino-2-methylpentanoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785912
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide
CID 119939189
2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
CID 119922066
N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557405
1-[8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-one
CID 141161915

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide (CID 86956997) is N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is PYASICMKADOODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-24(2)29(27,28)17-9-6-15-11-12-25(18(15)13-17)19(26)10-5-14-3-7-16(8-4-14)20(21,22)23/h3-4,6-9,13H,5,10-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide?
N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 426.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86956997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).